%chk=000179702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179702

0 1
S -2.364206 -0.980405 -0.542922
O -3.705905 1.182340 0.164528
N -1.491101 1.553247 -0.338453
C 0.565489 0.494495 0.633736
C -0.141505 1.016299 -0.631894
C 1.943433 0.002330 0.288503
C -1.565191 2.985035 0.047958
C 2.121177 -1.300388 -0.203180
C 3.056439 0.841593 0.446898
C -2.613654 0.770902 -0.164654
C 3.400448 -1.756877 -0.529467
C 4.334180 0.379067 0.119489
C 4.509285 -0.919249 -0.369022
C -4.065276 -1.630787 -0.357336
C -4.013356 -2.825943 0.564544
H 0.609216 1.289365 1.404795
H -0.030460 -0.319958 1.099771
H 0.467223 1.825373 -1.098715
H -0.208890 0.211318 -1.401901
H -1.242698 3.618845 -0.794455
H -0.933372 3.198913 0.924355
H -2.607766 3.263514 0.301090
H 1.261006 -1.956434 -0.328988
H 2.928603 1.852654 0.826884
H 3.534072 -2.768646 -0.909386
H 5.195583 1.032884 0.246169
H 5.504575 -1.277387 -0.622791
H -4.728022 -0.827833 0.039777
H -4.440582 -1.893550 -1.364102
H -3.360523 -3.623566 0.185592
H -3.651628 -2.559416 1.568158
H -5.013995 -3.263832 0.692720


%chk=000179702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179702

0 1
S -2.230628 -1.158694 -0.839664
O -3.791975 0.944735 0.044489
N -1.517340 1.436590 -0.214956
C 0.621687 0.421194 0.690760
C -0.143190 1.001847 -0.536915
C 2.022089 -0.026630 0.302667
C -1.698336 2.825924 0.252280
C 2.223058 -1.285862 -0.322177
C 3.145447 0.814390 0.509112
C -2.616980 0.602765 -0.259735
C 3.512961 -1.694130 -0.727863
C 4.438330 0.409700 0.104780
C 4.625884 -0.846576 -0.516394
C -3.981724 -1.860082 -0.644164
C -4.262737 -2.347420 0.782432
H 0.667521 1.191467 1.483668
H 0.035806 -0.430047 1.083029
H 0.406012 1.876405 -0.933312
H -0.170969 0.248227 -1.344108
H -1.436481 3.540277 -0.550717
H -1.058763 3.026751 1.132137
H -2.752616 2.968685 0.532581
H 1.363570 -1.949743 -0.481072
H 3.007022 1.787681 0.997224
H 3.651924 -2.671506 -1.203871
H 5.296634 1.069152 0.277056
H 5.627465 -1.163451 -0.828141
H -4.663177 -1.042342 -0.929674
H -4.035792 -2.669934 -1.391013
H -3.544041 -3.124717 1.096076
H -4.205761 -1.505244 1.492522
H -5.282303 -2.775508 0.840666


